Geometry & MOs

Info

ID:	366164
PubChem CID:	127319573
Reduced:	FN2S2O3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	344.176979
ΔH_f, kcal/mol:	-124.53
Dipole, Da:	7.63
IP(EA), eV:	-9.7(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyl)-N-(1,1-dioxothian-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CN=C(S2)C3=CC=CC=C3F

DOS

IR

Vibrations